matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10476.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.6050    1.0450   21.1260 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400    0.0620   21.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8370   -0.5860   22.8650 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9010   -1.5980   22.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350   -0.8840   22.7310 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3860   -1.0190   21.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4320   -1.6750   23.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9740    0.4890   23.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4940    0.4350   23.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9800   -0.5270   21.3510 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470   -0.0680   20.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8870    0.4750   20.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000    0.6040   22.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5590   -0.0960   18.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    0.3780   17.9670 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    0.8890   18.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200    0.9520   19.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0
  3  2  1  6
  4  3  1  0
  5  4  1  6
  6  5  1  0
  7  6  1  0
  7  5  1  0
  8  5  1  0
  9  3  1  0
  9  8  1  0
 10  2  1  0
 11 10  1  0
 12 11  2  0
 13 12  1  0
 14 11  1  0
 15 14  2  0
 16 15  1  0
 17 16  2  0
 17 12  1  0
M  END